1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone

C10H10Cl2F3NOS — CID 55010259

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCN(CC(=O)c1cc(Cl)sc1Cl)CC(F)(F)F
InChIInChI=1S/C10H10Cl2F3NOS/c1-2-16(5-10(13,14)15)4-7(17)6-3-8(11)18-9(6)12/h3H,2,4-5H2,1H3
InChIKeyMQTAPEALBGGLMZ-UHFFFAOYSA-N
MW320.16 g/mol
LogP4.12
Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone

1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 55010259) has the molecular formula C10H10Cl2F3NOS and a molecular weight of 320.16 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID55010259
Molecular FormulaC10H10Cl2F3NOS
Molecular Weight320.16 g/mol
Exact Mass318.98
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCN(CC(=O)c1cc(Cl)sc1Cl)CC(F)(F)F
InChIInChI=1S/C10H10Cl2F3NOS/c1-2-16(5-10(13,14)15)4-7(17)6-3-8(11)18-9(6)12/h3H,2,4-5H2,1H3
InChIKeyMQTAPEALBGGLMZ-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55010172
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CID 55010655
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CID 55010691
CID 55010691
CID 55010848
CID 55010848
CID 60656509
CID 60656509
CID 60891010
CID 60891010
CID 60891209
CID 60891209
CID 62966841
CID 62966841
CID 65536322
CID 65536322
CID 65537110
CID 65537110

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone (CID 55010259) is 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone is CCN(CC(=O)c1cc(Cl)sc1Cl)CC(F)(F)F.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is MQTAPEALBGGLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NOS/c1-2-16(5-10(13,14)15)4-7(17)6-3-8(11)18-9(6)12/h3H,2,4-5H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 320.16 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 55010259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).